CID 202291

10077-96-0

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)OC
InChI
InChI=1S/C13H15N3O3/c1-9-11(14-13(18)19-3)12(17)16(15(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3,(H,14,18)
InChIKey
PRKKQIFQEAKSAH-UHFFFAOYSA-N
Compound name
methyl N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

261.11133 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.118606 157.3
[M+Na]+ 284.100548 167.2
[M-H]- 260.104054 162.7
[M+NH4]+ 279.145153 173.4
[M+K]+ 300.074488 164.4
[M+H-H2O]+ 244.108590 149.1
[M+HCOO]- 306.109531 181.2
[M+CH3COO]- 320.125181 198.1
[M+Na-2H]- 282.085996 159.8
[M]+ 261.11078142 160.8
[M]- 261.11187858 160.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.